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Ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

In the title compound, C(21)H(24)BrNO(4), the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. The et...

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Autores principales: Kurbanova, Malahat M., Huseynov, Elnur Z., Gurbanov, Atash V., Maharramov, Abel M., Kia, Reza
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629593/
https://www.ncbi.nlm.nih.gov/pubmed/23634080
http://dx.doi.org/10.1107/S1600536813006739
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author Kurbanova, Malahat M.
Huseynov, Elnur Z.
Gurbanov, Atash V.
Maharramov, Abel M.
Kia, Reza
author_facet Kurbanova, Malahat M.
Huseynov, Elnur Z.
Gurbanov, Atash V.
Maharramov, Abel M.
Kia, Reza
author_sort Kurbanova, Malahat M.
collection PubMed
description In the title compound, C(21)H(24)BrNO(4), the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, mol­ecules are linked by N—H⋯O inter­actions, forming chains parallel to [101]. There are no significant C—H⋯π or π–π inter­actions in the crystal structure.
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spelling pubmed-36295932013-04-30 Ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate Kurbanova, Malahat M. Huseynov, Elnur Z. Gurbanov, Atash V. Maharramov, Abel M. Kia, Reza Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(24)BrNO(4), the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, mol­ecules are linked by N—H⋯O inter­actions, forming chains parallel to [101]. There are no significant C—H⋯π or π–π inter­actions in the crystal structure. International Union of Crystallography 2013-03-16 /pmc/articles/PMC3629593/ /pubmed/23634080 http://dx.doi.org/10.1107/S1600536813006739 Text en © Kurbanova et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Kurbanova, Malahat M.
Huseynov, Elnur Z.
Gurbanov, Atash V.
Maharramov, Abel M.
Kia, Reza
Ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title Ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_full Ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_fullStr Ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_full_unstemmed Ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_short Ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_sort ethyl 4-(5-bromo-2-hy­droxy­phen­yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629593/
https://www.ncbi.nlm.nih.gov/pubmed/23634080
http://dx.doi.org/10.1107/S1600536813006739
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